5-bromo-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide

C15H12Br2N2O3 — CID 136815793

IUPAC5-bromo-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)N/N=C\c1cc(Br)ccc1O
InChIInChI=1S/C15H12Br2N2O3/c1-22-14-5-3-11(17)7-12(14)15(21)19-18-8-9-6-10(16)2-4-13(9)20/h2-8,20H,1H3,(H,19,21)/b18-8-
InChIKeyJROQOMPRSWBVDA-LSCVHKIXSA-N
MW428.08 g/mol
LogP3.69
Rot. Bonds4

About 5-bromo-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide

5-bromo-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide (PubChem CID 136815793) has the molecular formula C15H12Br2N2O3 and a molecular weight of 428.08 g/mol. Its IUPAC name is 5-bromo-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
PubChem CID136815793
Molecular FormulaC15H12Br2N2O3
Molecular Weight428.08 g/mol
Exact Mass425.92
IUPAC Name5-bromo-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)N/N=C\c1cc(Br)ccc1O
InChIInChI=1S/C15H12Br2N2O3/c1-22-14-5-3-11(17)7-12(14)15(21)19-18-8-9-6-10(16)2-4-13(9)20/h2-8,20H,1H3,(H,19,21)/b18-8-
InChIKeyJROQOMPRSWBVDA-LSCVHKIXSA-N
XLogP3.69
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.08
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 1282664
3-bromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 135419973
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 6113383
5-bromo-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide
CID 135957632
5-bromo-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide
CID 136843572
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 135931429
5-bromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methoxybenzamide
CID 137227559
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 6009117
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-ethoxy-4-methoxybenzamide
CID 137045325
5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136843544
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-iodobenzamide
CID 6158921
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylbenzamide
CID 719568

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide (CID 136815793) is 5-bromo-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)N/N=C\c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide?
The InChIKey is JROQOMPRSWBVDA-LSCVHKIXSA-N. The full InChI is InChI=1S/C15H12Br2N2O3/c1-22-14-5-3-11(17)7-12(14)15(21)19-18-8-9-6-10(16)2-4-13(9)20/h2-8,20H,1H3,(H,19,21)/b18-8-.
What are the key properties of 5-bromo-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide?
5-bromo-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide has a molecular weight of 428.08 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide is sourced from PubChem (CID 136815793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).